>compound Adenosine 5'-diphospho-glucose_Adenosine 5'-diphospho-glucose
#instrument UPLC Q-Tof Premier, Waters
>formula C16H25N5O15P2
#smiles OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]2n(c4)c(n3)c(n4)c(N)nc3
#RECORD LC-ESI-QTOF_train_data/PR100103.txt;LC-ESI-QTOF_train_data/PR100532.txt;LC-ESI-QTOF_train_data/PR100102.txt
>charge 1
>ionization [M+H]+
>parentmass 590.09004

>collision 30
428.0386 25.04
590.09 11.9
590.1827 3.159

>collision 5-60
78.9601 1490.0
96.9703 597.7
134.0475 282.6
158.926 312.5
241.013 850.5
272.9593 135.8
320.9791 111.1
346.0571 1806.0
408.0136 204.4
588.0745 2060.0

>collision 5-60
428.0426 13.83
590.09 43.06

